C13H19N5O5 Adenosin, 2′-O-(2-methoxyethyl)- (9CI, ACI)
Rhif Cofrestru CAS
168427-74-5
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 325.32 | - |
| Pwynt Berwi (Rhagfynegedig) | 639.0±65.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 1.70±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 13.12±0.70 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
GWÊNAU Isomerig
O(CCOC)[C@H]1[C@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h21-7,9-10,23,H1,10,20,H20,12,10,23,H16-12(8) (H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Allwedd InChI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Enw Arall ar gyfer y Sylwedd hwn
2′ -O-(2-Methoxyethyl)adenosine (ACI)
Spectra sydd ar gael
1H NMR
13C NMR
Eiddo sydd ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Cysylltiedig â Strwythur
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.18 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.31 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.32 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.32 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.32 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.32 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 42.5 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 0.12 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 4.2 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 999 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 381 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 55 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | Dŵr Heb ei Gluffio pH 8.08; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 0.013 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.07 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.17 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.17 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.029 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.015 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 0.013 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | Dŵr Heb ei Gluffio pH 8.08; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 325.32 | ||
| pKa | 13.12±0.70 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 3.35 x 10-17 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.70±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 191.2±7.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 8 | (1) ACD | |
| Derbynyddion H | 10 | (1) ACD | |
| Rhoddwyr H | 4 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 14 | (1) ACD | |
| logP | 0.462±0.647 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 325.32 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell y Cyflwr |
| Arwynebedd Wyneb Pegynol | 138 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Berwi | 639.0±65.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi Anweddu | 99.17±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt Fflach | 340.2±34.3 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
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